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Compound Detail

CHEMBL6014835

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Cc1ccc(Cl)c(-c2cc(Cn3ccnc3)cc(C(=O)NCc3ccc(Cl)c(Cl)c3)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6014835
Phase Preclinical
Structure Type MOL
InChI Key BVPOMEXWTCOUOE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

484.8
MW (Da)
6.80
ALogP
3
HBA
1
HBD
46.9
PSA (Ų)
0.33
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H20Cl3N3O
MW 484.81
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.55

Activity Summary

Ki 1 meas. best 8.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
WD repeat-containing protein 5
CHEMBL1075317
 Ki 8.66 8.66 2.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
WD repeat-containing protein 5 Ki = 2.2 nM 8.66 FPA Binding Assay: FPA Assay protocol adopted from Karatas et al. (J. Med. Chem.... -

Data from ChEMBL 36 via Core Engine